Benzene

Benzene

SCHEMBL8629295

CCC(=O)C(C(C)=O)C(C)=O.c1ccccc1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FFAR3 O14843 2/20 0.38
HPD P32754 1/20 0.36
CYP1A2 P05177 2/20 0.35
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP2C19 P33261 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8543975 0.92 ALDH1A1 (0.44) ALDH1A1TDP1FFAR3HPD
SCHEMBL1802349 0.86 ALDH1A1 (0.44) ALDH1A1TDP1FFAR3HPD
SCHEMBL1930965 0.84 TDP1 (0.38) ALDH1A1TDP1FFAR3HPD
SCHEMBL13668427 0.76 TDP1 (0.44) ALDH1A1TDP1FFAR3CES2CES1
SCHEMBL517135 0.75 ALDH1A1 (0.41) ALDH1A1TDP1HPD
SCHEMBL4934185 0.75 FFAR3 (0.44) ALDH1A1TDP1FFAR3MAPK1
SCHEMBL10485422 0.73 CA1 (0.36) ALDH1A1TDP1HPDMAPTSMN1; SMN2
SCHEMBL3303175 0.73 ALDH1A1 (0.44) ALDH1A1TDP1MAPTCYP2C19
SCHEMBL27798210 0.73 ALDH1A1 (0.39) ALDH1A1TDP1HPD
SCHEMBL517134 0.72 TDP1 (0.43) ALDH1A1TDP1FFAR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5727573-A ZEOLITE, MOLECULAR SIEVE F. J. BURRUS SA (CH) 1998-03-17 US disclosed